SCHEMBL4344707

SCHEMBL4344707

Cc1ccc(S(=O)(=O)N[C@H](Cc2cn([C@@H]3CCOc4cc(C=O)ccc43)nn2)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
MMP9 P14780 3/20 0.38
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
KMT2A Q03164 2/20 0.36
AIMP2 Q13155 1/20 0.36
MEN1 O00255 1/20 0.36
BDKRB1 P46663 1/20 0.35
MMP2 P08253 2/20 0.34
NPY5R Q15761 1/20 0.34
HPN P05981 1/20 0.34
HGFAC Q04756 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
MMP13 P45452 1/20 0.33
POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4344712 1.00 TDP1 (0.39) TDP1MMP9ITGB3ITGA2BKMT2A
SCHEMBL5002032 0.94 AIMP2 (0.35) TDP1MMP9KMT2AAIMP2MEN1
SCHEMBL5002026 0.94 AIMP2 (0.35) TDP1MMP9KMT2AAIMP2MEN1
SCHEMBL13614293 0.89 NPY5R (0.34) MMP9ITGB3ITGA2BKMT2AAIMP2
SCHEMBL5107016 0.87 TDP1 (0.42) TDP1MMP9ITGB3ITGA2BKMT2A
SCHEMBL5002010 0.85 MMP9 (0.41) TDP1MMP9ITGB3ITGA2BMMP2
SCHEMBL4331450 0.85 MMP9 (0.41) TDP1MMP9ITGB3ITGA2BMMP2
SCHEMBL5001778 0.85 BDKRB1 (0.45) TDP1MMP9ITGB3ITGA2BBDKRB1
SCHEMBL5001780 0.85 BDKRB1 (0.45) TDP1MMP9ITGB3ITGA2BBDKRB1
SCHEMBL5001688 0.84 BDKRB1 (0.43) TDP1MMP9ITGB3ITGA2BKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 US disclosed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 US disclosed
US-20060100216-A1 Novel B1 bradykinin receptor antagonists AMGEN INC. (US) 2006-05-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060100213-A1 Triazoles and methods of use CYP3A5, CYP3A43, CYP2E1 TDP1 789/4885MMP9 907/4885ITGB3 762/4885
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction BDKRB1, BDKRB2, FPR1 TDP1 3759/4885MMP9 2559/4885ITGB3 1224/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB TDP1 3687/4885MMP9 2019/4885ITGB3 2146/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.